(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C16H23N3O5 — CID 95729959

About (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 95729959) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

• Compound Name: (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• PubChem CID: 95729959
• Molecular Formula: C16H23N3O5
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.16
• IUPAC Name: (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• SMILES: COc1ccc(C(=O)N2CCO[C@]3(CNCCOC3)C2)c(OC)n1
• InChI: InChI=1S/C16H23N3O5/c1-21-13-4-3-12(14(18-13)22-2)15(20)19-6-8-24-16(10-19)9-17-5-7-23-11-16/h3-4,17H,5-11H2,1-2H3/t16-/m1/s1
• InChIKey: QJHJXWQNVYYZFK-MRXNPFEDSA-N
• XLogP: -0.07
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 95729959) is (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is COc1ccc(C(=O)N2CCO[C@]3(CNCCOC3)C2)c(OC)n1.

What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The InChIKey is QJHJXWQNVYYZFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-21-13-4-3-12(14(18-13)22-2)15(20)19-6-8-24-16(10-19)9-17-5-7-23-11-16/h3-4,17H,5-11H2,1-2H3/t16-/m1/s1.

What are the key properties of (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 95729959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).